Geometry & MOs

Info

ID:

315973

PubChem CID:

126629518

Reduced:

N2H38C61 (1)

Stoich.:

A2B38C61 (1)

Weight, g/mol:

887.330048

ΔHf, kcal/mol:

461.19

Dipole, Da:

1.43

IP(EA), eV:

 -7.99(-1.12)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8',11'-diphenyl-11-(9-phenylcarbazol-3-yl)-12,12'-spirobi[indeno[2,1-a]carbazole]

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC=C2)N3C4=CC=CC=C4C5=C3C6=C(C=C5)C7=CC=CC=C7C68C9=CC=CC=C9C1=C8C2=C(C=C1)C1=CC=CC=C1N2C1=CC=CC(=C1)C1=CC=CC=C1

DOS

IR

Vibrations